N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide

C10H20N2O — CID 59327284

IUPACN-[3-(dimethylamino)propyl]-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CCCN(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-10(13)12(4)9-6-8-11(2)3/h5H,1,6-9H2,2-4H3
InChIKeyVFUZZSGZBVOMHT-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.97
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide

N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide (PubChem CID 59327284) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-methylbut-3-enamide
PubChem CID59327284
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-methylbut-3-enamide
SMILESC=CCC(=O)N(C)CCCN(C)C
InChIInChI=1S/C10H20N2O/c1-5-7-10(13)12(4)9-6-8-11(2)3/h5H,1,6-9H2,2-4H3
InChIKeyVFUZZSGZBVOMHT-UHFFFAOYSA-N
XLogP0.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 246342
CID 246342
CID 547369
CID 547369
CID 15984652
CID 15984652
CID 12545744
CID 12545744
CID 5369259
CID 5369259
CID 13169223
CID 13169223
CID 13169228
CID 13169228
CID 582076
CID 582076
CID 10262074
CID 10262074
CID 14226602
CID 14226602
CID 567780
CID 567780
CID 19437510
CID 19437510

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide (CID 59327284) is N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide is C=CCC(=O)N(C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide?
The InChIKey is VFUZZSGZBVOMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-10(13)12(4)9-6-8-11(2)3/h5H,1,6-9H2,2-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide?
N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide has a molecular weight of 184.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-methylbut-3-enamide is sourced from PubChem (CID 59327284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).